5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C16H25NOS — CID 55032375

IUPAC5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1CCCC(c2nc3c(s2)C(O)CC(C)(C)C3)C1
InChIInChI=1S/C16H25NOS/c1-10-5-4-6-11(7-10)15-17-12-8-16(2,3)9-13(18)14(12)19-15/h10-11,13,18H,4-9H2,1-3H3
InChIKeyUAQHJRJPSPAUAF-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.44
Rot. Bonds1

About 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol

5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 55032375) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID55032375
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1CCCC(c2nc3c(s2)C(O)CC(C)(C)C3)C1
InChIInChI=1S/C16H25NOS/c1-10-5-4-6-11(7-10)15-17-12-8-16(2,3)9-13(18)14(12)19-15/h10-11,13,18H,4-9H2,1-3H3
InChIKeyUAQHJRJPSPAUAF-UHFFFAOYSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 55032375) is 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1CCCC(c2nc3c(s2)C(O)CC(C)(C)C3)C1.
What is the InChIKey of 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is UAQHJRJPSPAUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-10-5-4-6-11(7-10)15-17-12-8-16(2,3)9-13(18)14(12)19-15/h10-11,13,18H,4-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 279.45 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(3-methylcyclohexyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 55032375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).